>compound Methyl Salicylate_Methyl Salicylate
#instrument UPLC Q-Tof Premier, Waters
>formula C8H8O3
#smiles COC(=O)c(c1)c(O)ccc1
#RECORD LC-ESI-QTOF_train_data/PR100930.txt
>charge -1
>ionization [M-H]-
>parentmass 151.03954

>collision 5-60
67.0363 7.776
95.0369 11.15
123.0373 33.47
134.9916 2.974
136.0484 3.031
151.0395 17.27

